1.0 2010-04-08 22:11:25 UTC 2015-07-20 23:10:21 UTC FDB014698 Cedryl acetate Flavouring ingredient 3b-Cedranyl acetate 8BetaH-cedran-8-ol acetate 8BetaH-cedran-8-ol, acetate Acetic acid, cedrol ester Cedran-8-yl acetate Cedranyl acetate Cedrol acetate Cedryl acetate C17H28O2 264.403 264.20893014 2,6,6,8-tetramethyltricyclo[5.3.1.0¹,⁵]undecan-8-yl acetate cedrol, acetate 77-54-3 CC1CCC2C(C)(C)C3CC12CCC3(C)OC(C)=O InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3 HQKQRXZEXPXXIG-UHFFFAOYSA-N belongs to the class of organic compounds known as cedrane and isocedrane sesquiterpenoids. These are sesquiternoids with a structure based on the cedrane or the isocedrane skeleton. Cedrane is a tricyclic molecules a 3,6,8,8-tetramethyl-1H-3a,7-methano-azulene moiety. Isocedrane is a rearranged cedrane arising from the migration of methyl group moved from the 6-position to the 4-position. Cedrane and isocedrane sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cedrane sesquiterpenoid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 4.47 ALOGPS logs -5.61 ALOGPS solubility 6.54e-04 g/l ALOGPS logp 3.63 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2,6,6,8-tetramethyltricyclo[5.3.1.0¹,⁵]undecan-8-yl acetate ChemAxon average_mass 264.403 ChemAxon mono_mass 264.20893014 ChemAxon smiles CC1CCC2C(C)(C)C3CC12CCC3(C)OC(C)=O ChemAxon formula C17H28O2 ChemAxon inchi InChI=1S/C17H28O2/c1-11-6-7-13-15(3,4)14-10-17(11,13)9-8-16(14,5)19-12(2)18/h11,13-14H,6-10H2,1-5H3 ChemAxon inchikey HQKQRXZEXPXXIG-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 75.68 ChemAxon polarizability 31.14 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11367 Specdb::CMs 137084 Specdb::CMs 144818 Specdb::MsMs 72339 Specdb::MsMs 72340 Specdb::MsMs 72341 Specdb::MsMs 131214 Specdb::MsMs 131215 Specdb::MsMs 131216 Specdb::MsMs 2342355 Specdb::MsMs 2342356 Specdb::MsMs 2342357 Specdb::MsMs 2593777 Specdb::MsMs 2593778 Specdb::MsMs 2593779 HMDB35910 #<Reference:0x000055ce325bf9b8> cedar dry sharp woody